8V95

GII.8 Amsterdam norovirus protruding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	67.230, 78.428, 115.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.680 - 1.730
R-factor	0.1757
Rwork	0.174
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.680	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.089	0.647
Rmeas	0.098	0.713
Rpim	0.040	0.294
Total number of observations	375331	16109
Number of reflections	64062	3023
<I/σ(I)>	8.8	1.4
Completeness [%]	99.2
Redundancy	5.9	5.3
CC(1/2)	0.998	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M Sodium chloride 0.1 M Sodium/potassium phosphate (pH 6.2) 50% v/v PEG 200